2-[4-amino-2-(trifluoromethyl)phenyl]ethanol

C9H10F3NO — CID 23155126

IUPAC2-[4-amino-2-(trifluoromethyl)phenyl]ethanol
SMILESNc1ccc(CCO)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8-5-7(13)2-1-6(8)3-4-14/h1-2,5,14H,3-4,13H2
InChIKeyQAXHELLJPXXYJA-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.82
Rot. Bonds2

About 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol

2-[4-amino-2-(trifluoromethyl)phenyl]ethanol (PubChem CID 23155126) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-amino-2-(trifluoromethyl)phenyl]ethanol
PubChem CID23155126
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name2-[4-amino-2-(trifluoromethyl)phenyl]ethanol
SMILESNc1ccc(CCO)c(C(F)(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8-5-7(13)2-1-6(8)3-4-14/h1-2,5,14H,3-4,13H2
InChIKeyQAXHELLJPXXYJA-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol (CID 23155126) is 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol is Nc1ccc(CCO)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is QAXHELLJPXXYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)8-5-7(13)2-1-6(8)3-4-14/h1-2,5,14H,3-4,13H2.
What are the key properties of 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol?
2-[4-amino-2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 23155126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).